Dear Laurence Marks,
Thank you very much for your reply. today I found the same problem
with a simple calculation at the time of initialisation. At third iteration,
the program stopped with the same error. I didn't change and save any file
during this run. I am using WIEN2k_09.1 (Release
Please download the very latest version from the web page and compile
it -- to ensure that this is not an issue (some updates go directly
onto the web page prior to a new release). This will remove
ambiguities so we know exactly what you are using. If there is still a
problem and you cannot cure it
Dear Wien users,
I am getting an error when carrying out volume
optimization of hexagonal structure containing three atoms.
"mixer.error" file contains the line
Error in MIXER
"case.dayfile" contains
error: command /home/debojyoti/wien2k/mixer mixer.def failed
and the n
This error is due to a different length of your clmsum file for the
older iterations compared to the current one. This can occur easily if
you have changed something during a run (e.g. the number of LMs or
PW's) although the mixer tries to catch that.
Remove the old broyden files (rm *broyd* ) and
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